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Report No.
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Investigations on systematics of thermodynamic data and comparison of estimation of solubility values among different activity coefficient models for development of thermodynamic database

Kitamura, Akira  ; Shibata, Masahiro ; Yamaguchi, Tetsuji ; Iida, Yoshihisa ; Yui, Mikazu

Investigations on systematics of thermodynamic data were performed for performance assessment of geological disposal of high-level and TRU waste. Correlation between standard free energy of formation and standard enthalpy of formation was investigated, and it was shown that estimation of the standard enthalpy of formation from the standard free energy of formation was possible using the correlation. Three models on systematics of formation constant of actinides were compared and the best model was proposed. It was shown that estimation of formation constant for unpublished species was possible using the model. Furthermore, two models for estimation of activity coefficient which was required to estimate solubility of elements of interest and the estimated activity coefficient were compared. It was expected that the obtained results were useful for the performance assessment of geological disposal.

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